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345121

Sigma-Aldrich

3-Pentanone

ReagentPlus®, ≥99%

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Synonym(s):
Diethyl ketone
Linear Formula:
CH3CH2COCH2CH3
CAS Number:
96-22-0
Molecular Weight:
86.13
Beilstein:
635749
EC Number:
202-490-3
MDL number:
MFCD00009320
UNSPSC Code:
12352115
PubChem Substance ID:
57649235

vapor density

3 (vs air)

vapor pressure

20 mmHg ( 28 °C)
28.1 mmHg ( 20 °C)

product line

ReagentPlus®

Assay

≥99%

form

liquid

autoignition temp.

845 °F

expl. lim.

0.34-6.3 %

refractive index

n20/D 1.392 (lit.)

pH

6.2 (20 °C, 50 g/L)

bp

101.5 °C (lit.)

mp

−42 °C (lit.)

solubility

water: slightly soluble

density

0.813 g/mL at 25 °C (lit.)

SMILES string

CCC(=O)CC

InChI

1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3

InChI key

FDPIMTJIUBPUKL-UHFFFAOYSA-N

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Other Notes

A -D suffix exists for administrative purposes only.
All -D packages are 100% the same product, same quality, same specification as the package sizes previously sold without a -D.

Legal Information

ReagentPlus is a registered trademark of Merck KGaA, Darmstadt, Germany

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H319,H335,H336

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - STOT SE 3

Target Organs

Central nervous system, Respiratory system

Supplementary Hazards

EUH066

WGK

WGK 1

Flash Point(F)

44.6 °F

Flash Point(C)

7 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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S Kölliker et al.
Analytical chemistry, 70(9), 1979-1985 (1998-05-01)
Ion trap multiple fragmentation mass spectrometry (MS(n)()) combined with high-performance liquid chromatography (HPLC) has been used for the structure elucidation and identification of 2,4-dinitrophenylhydrazone derivatives of carbonyl compounds in ambient air samples. Atmospheric pressure chemical ionization in the negative ion
Role of HMPT and TMEDA in control of enolate stereochemistry for reactions of lithium amides with 3-pentanone.
Fataftah ZA, et al.
Journal of the American Chemical Society, 102(11), 3959-3960 (1980)
Temperature and excitation wavelength dependencies of 3-pentanone absorption and fluorescence for PLIF applications.
Koch JD and Hanson RK.
Applied Physics B: Lasers and Optics, 76(3), 319-324 (2003)
Jon D Koch et al.
Applied optics, 43(31), 5901-5910 (2004-11-16)
We measured fluorescence quantum yields of acetone and 3-pentanone as a pure gas and with nitrogen diluent at room temperature at 20, 507, and 1013 mbar using 248, 266, and 308 nm excitation by calibrating the optical collection system with
An electron-diffraction investigation of the molecular structures of acetone, 2-butanone, and 3-pentanone.
Romers C and Creutzberg JEG.
Rec. Trav. Chim., 75(3), 331-345 (1956)
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